4-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[(4-bromo-2-fluorophenyl)methylthio]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[(4-bromo-2-fluoro-benzyl)thio]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C19H18BrFN2O2S MolecularWeight: 437.325823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSCC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C19H18BrFN2O2S/c1-19(2)18(25)22-15-5-3-4-6-16(15)23(19)17(24)11-26-10-12-7-8-13(20)9-14(12)21/h3-9H,10-11H2,1-2H3,(H,22,25)